5-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]pyridine-3-carboxamide

C23H24ClN3O4 — CID 11950060

IUPAC5-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]pyridine-3-carboxamide
SMILESCc1cc(COc2ncc(C(=O)N[C@@H]3CCCC[C@H]3O)cc2-c2ccc(Cl)cc2)on1
InChIInChI=1S/C23H24ClN3O4/c1-14-10-18(31-27-14)13-30-23-19(15-6-8-17(24)9-7-15)11-16(12-25-23)22(29)26-20-4-2-3-5-21(20)28/h6-12,20-21,28H,2-5,13H2,1H3,(H,26,29)/t20-,21-/m1/s1
InChIKeyYQVCVIQDCQDHGW-NHCUHLMSSA-N
MW441.92 g/mol
LogP4.31
Rot. Bonds6

About 5-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]pyridine-3-carboxamide

5-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]pyridine-3-carboxamide (PubChem CID 11950060) has the molecular formula C23H24ClN3O4 and a molecular weight of 441.92 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]pyridine-3-carboxamide
PubChem CID11950060
Molecular FormulaC23H24ClN3O4
Molecular Weight441.92 g/mol
Exact Mass441.15
IUPAC Name5-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]pyridine-3-carboxamide
SMILESCc1cc(COc2ncc(C(=O)N[C@@H]3CCCC[C@H]3O)cc2-c2ccc(Cl)cc2)on1
InChIInChI=1S/C23H24ClN3O4/c1-14-10-18(31-27-14)13-30-23-19(15-6-8-17(24)9-7-15)11-16(12-25-23)22(29)26-20-4-2-3-5-21(20)28/h6-12,20-21,28H,2-5,13H2,1H3,(H,26,29)/t20-,21-/m1/s1
InChIKeyYQVCVIQDCQDHGW-NHCUHLMSSA-N
XLogP4.31
TPSA97.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.92
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]pyridine-3-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]pyridine-3-carboxamide (CID 11950060) is 5-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]pyridine-3-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]pyridine-3-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]pyridine-3-carboxamide is Cc1cc(COc2ncc(C(=O)N[C@@H]3CCCC[C@H]3O)cc2-c2ccc(Cl)cc2)on1.
What is the InChIKey of 5-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]pyridine-3-carboxamide?
The InChIKey is YQVCVIQDCQDHGW-NHCUHLMSSA-N. The full InChI is InChI=1S/C23H24ClN3O4/c1-14-10-18(31-27-14)13-30-23-19(15-6-8-17(24)9-7-15)11-16(12-25-23)22(29)26-20-4-2-3-5-21(20)28/h6-12,20-21,28H,2-5,13H2,1H3,(H,26,29)/t20-,21-/m1/s1.
What are the key properties of 5-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]pyridine-3-carboxamide?
5-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]pyridine-3-carboxamide has a molecular weight of 441.92 g/mol, XLogP of 4.31, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]pyridine-3-carboxamide is sourced from PubChem (CID 11950060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).